3-Fluoro-2-nitrobenzoic acid

C7H4FNO4CAS 1000339-51-4185.11 g/mol

Open in Covalent MOL file
FN+OO−OOH
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C7H4FNO4
Molar mass
185.11 g/mol
Exact mass
185.0124 Da
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1000339-51-4
SMILES
C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O
InChIKey
DTGONJAUUOWYGB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

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Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 1000339-51-4. Each row opens the sheet with its composition and PDF.

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Work with 3-Fluoro-2-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitro-1,3-benzenedicarboxylic acid21161-11-576 % similar 3-Chloro-2-nitrobenzoic acid4771-47-567 % similar 3-Hydroxy-2-nitrobenzoic acid602-00-667 % similar 3-Methyl-2-nitrobenzoic acid5437-38-765 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-362 % similar 1,3-Difluoro-2-nitrobenzene19064-24-562 % similar 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid106809-14-760 % similar 2-Fluoro-5-nitrobenzoic acid7304-32-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-nitrobenzoic acid14027-75-9 2-Fluoro-3-nitrobenzoic acid317-46-4 5-Fluoro-2-nitrobenzoic acid320-98-9 2-Fluoro-6-nitrobenzoic acid385-02-4 4-Fluoro-2-nitrobenzoic acid394-01-4 3-Fluoro-4-nitrobenzoic acid403-21-4 2-Fluoro-4-nitrobenzoic acid403-24-7 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

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